1-[(3S)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-3-indazol-1-ylpropan-1-one

C19H26N4O2 — CID 125022823

IUPAC1-[(3S)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-3-indazol-1-ylpropan-1-one
SMILESO=C(CCn1ncc2ccccc21)N1CC[C@](O)(CN2CCCC2)C1
InChIInChI=1S/C19H26N4O2/c24-18(7-11-23-17-6-2-1-5-16(17)13-20-23)22-12-8-19(25,15-22)14-21-9-3-4-10-21/h1-2,5-6,13,25H,3-4,7-12,14-15H2/t19-/m0/s1
InChIKeyYTGMUHVQCNBKIP-IBGZPJMESA-N
MW342.44 g/mol
LogP1.49
Rot. Bonds5

About 1-[(3S)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-3-indazol-1-ylpropan-1-one

1-[(3S)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-3-indazol-1-ylpropan-1-one (PubChem CID 125022823) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[(3S)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-3-indazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-3-indazol-1-ylpropan-1-one
PubChem CID125022823
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-[(3S)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-3-indazol-1-ylpropan-1-one
SMILESO=C(CCn1ncc2ccccc21)N1CC[C@](O)(CN2CCCC2)C1
InChIInChI=1S/C19H26N4O2/c24-18(7-11-23-17-6-2-1-5-16(17)13-20-23)22-12-8-19(25,15-22)14-21-9-3-4-10-21/h1-2,5-6,13,25H,3-4,7-12,14-15H2/t19-/m0/s1
InChIKeyYTGMUHVQCNBKIP-IBGZPJMESA-N
XLogP1.49
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(3S)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-3-indazol-1-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(benzotriazol-1-yl)-1-[6-hydroxy-6-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]propan-1-one
CID 70731348
3-(1H-benzimidazol-2-yl)-1-[(3S)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 125008568
3-indazol-1-ylpropanoic acid
CID 805922
1-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 125017033
3-indazol-1-yl-1-[(2S)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]piperidin-1-yl]propan-1-one
CID 125019809
3-indazol-1-ylpropanoate
CID 5147223
4-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one
CID 124995877
1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-3-indazol-1-ylpropan-1-one
CID 110259297
1-[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-3-indazol-1-ylpropan-1-one
CID 110107960
3-indazol-1-yl-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 95829634
[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 124990157
1-[3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-3-phenylpropan-1-one
CID 110108994

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-3-indazol-1-ylpropan-1-one?
The IUPAC name of 1-[(3S)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-3-indazol-1-ylpropan-1-one (CID 125022823) is 1-[(3S)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-3-indazol-1-ylpropan-1-one.
What is the SMILES notation for 1-[(3S)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-3-indazol-1-ylpropan-1-one?
The canonical SMILES for 1-[(3S)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-3-indazol-1-ylpropan-1-one is O=C(CCn1ncc2ccccc21)N1CC[C@](O)(CN2CCCC2)C1.
What is the InChIKey of 1-[(3S)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-3-indazol-1-ylpropan-1-one?
The InChIKey is YTGMUHVQCNBKIP-IBGZPJMESA-N. The full InChI is InChI=1S/C19H26N4O2/c24-18(7-11-23-17-6-2-1-5-16(17)13-20-23)22-12-8-19(25,15-22)14-21-9-3-4-10-21/h1-2,5-6,13,25H,3-4,7-12,14-15H2/t19-/m0/s1.
What are the key properties of 1-[(3S)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-3-indazol-1-ylpropan-1-one?
1-[(3S)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-3-indazol-1-ylpropan-1-one has a molecular weight of 342.44 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-3-indazol-1-ylpropan-1-one is sourced from PubChem (CID 125022823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).